2-(4-methylpent-1-en-2-yl)oxane

C11H20O — CID 70645404

IUPAC2-(4-methylpent-1-en-2-yl)oxane
SMILESC=C(CC(C)C)C1CCCCO1
InChIInChI=1S/C11H20O/c1-9(2)8-10(3)11-6-4-5-7-12-11/h9,11H,3-8H2,1-2H3
InChIKeyMVWRCRUMCVRVAJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-methylpent-1-en-2-yl)oxane

2-(4-methylpent-1-en-2-yl)oxane (PubChem CID 70645404) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(4-methylpent-1-en-2-yl)oxane.

Molecular Properties

Compound Name2-(4-methylpent-1-en-2-yl)oxane
PubChem CID70645404
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(4-methylpent-1-en-2-yl)oxane
SMILESC=C(CC(C)C)C1CCCCO1
InChIInChI=1S/C11H20O/c1-9(2)8-10(3)11-6-4-5-7-12-11/h9,11H,3-8H2,1-2H3
InChIKeyMVWRCRUMCVRVAJ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-1-en-2-yl)oxane?
The IUPAC name of 2-(4-methylpent-1-en-2-yl)oxane (CID 70645404) is 2-(4-methylpent-1-en-2-yl)oxane.
What is the SMILES notation for 2-(4-methylpent-1-en-2-yl)oxane?
The canonical SMILES for 2-(4-methylpent-1-en-2-yl)oxane is C=C(CC(C)C)C1CCCCO1.
What is the InChIKey of 2-(4-methylpent-1-en-2-yl)oxane?
The InChIKey is MVWRCRUMCVRVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)8-10(3)11-6-4-5-7-12-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylpent-1-en-2-yl)oxane?
2-(4-methylpent-1-en-2-yl)oxane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-1-en-2-yl)oxane is sourced from PubChem (CID 70645404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).